Information card for entry 2018524

Structure parameters

• Chemical name: <i>catena</i>-poly[benzyldecyldimethylammonium [plumbate(II)-tri-μ-bromido]]
• Formula: C19 H34 Br3 N Pb
• Calculated formula: C19 H34 Br3 N Pb
• SMILES: [Pb]12(Br)(Br)(Br)[Br][Pb]([Br]1)Br2.[N+](CCCCCCCCCC)(C)(C)Cc1ccccc1.[N+](CCCCCCCCCC)(C)(C)Cc1ccccc1
• Title of publication: Self-assembly of long-chain quaternary ammonium cations in a hybrid inorganic‒organic material with one-dimensional polymeric tribromidoplumbate(II)
• Authors of publication: Hodorowicz, Maciej A.; Piaskowska, Agata; Stadnicka, Katarzyna M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m173 - m176
• a: 9.4354 ± 0.0001 Å
• b: 34.704 ± 0.0005 Å
• c: 7.6873 ± 0.0001 Å
• α: 90°
• β: 92.062 ± 0.001°
• γ: 90°
• Cell volume: 2515.55 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0963
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes